GroupTheory`
GroupTheory`

GTMolDatabaseInfo

GTMolDatabaseInfo[database]

gives information about database, containing data of molecules.

Details and Options

  • The database provides data of molecules that can be used to analyze the vibrational properties of molecules. Molecular databases have to have a name like database.parm.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 13.1.

Examples

Basic Examples  (1)

First load the package:

Set the directory to read the database.

Print information about the database.